(2E,6E)-5-ethylocta-2,6-diene-4,4-diol

C10H18O2 — CID 141487122

IUPAC(2E,6E)-5-ethylocta-2,6-diene-4,4-diol
SMILESC/C=C/C(CC)C(O)(O)/C=C/C
InChIInChI=1S/C10H18O2/c1-4-7-9(6-3)10(11,12)8-5-2/h4-5,7-9,11-12H,6H2,1-3H3/b7-4+,8-5+
InChIKeyZYOZCCPQYXCPEU-NSLJXJERSA-N
MW170.25 g/mol
LogP1.85
Rot. Bonds4

About (2E,6E)-5-ethylocta-2,6-diene-4,4-diol

(2E,6E)-5-ethylocta-2,6-diene-4,4-diol (PubChem CID 141487122) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2E,6E)-5-ethylocta-2,6-diene-4,4-diol.

Molecular Properties

Compound Name(2E,6E)-5-ethylocta-2,6-diene-4,4-diol
PubChem CID141487122
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2E,6E)-5-ethylocta-2,6-diene-4,4-diol
SMILESC/C=C/C(CC)C(O)(O)/C=C/C
InChIInChI=1S/C10H18O2/c1-4-7-9(6-3)10(11,12)8-5-2/h4-5,7-9,11-12H,6H2,1-3H3/b7-4+,8-5+
InChIKeyZYOZCCPQYXCPEU-NSLJXJERSA-N
XLogP1.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-5-ethylocta-2,6-diene-4,4-diol?
The IUPAC name of (2E,6E)-5-ethylocta-2,6-diene-4,4-diol (CID 141487122) is (2E,6E)-5-ethylocta-2,6-diene-4,4-diol.
What is the SMILES notation for (2E,6E)-5-ethylocta-2,6-diene-4,4-diol?
The canonical SMILES for (2E,6E)-5-ethylocta-2,6-diene-4,4-diol is C/C=C/C(CC)C(O)(O)/C=C/C.
What is the InChIKey of (2E,6E)-5-ethylocta-2,6-diene-4,4-diol?
The InChIKey is ZYOZCCPQYXCPEU-NSLJXJERSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-7-9(6-3)10(11,12)8-5-2/h4-5,7-9,11-12H,6H2,1-3H3/b7-4+,8-5+.
What are the key properties of (2E,6E)-5-ethylocta-2,6-diene-4,4-diol?
(2E,6E)-5-ethylocta-2,6-diene-4,4-diol has a molecular weight of 170.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-5-ethylocta-2,6-diene-4,4-diol is sourced from PubChem (CID 141487122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).